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1-[2-(3-methylphenyl)ethyl]-4-(N-acetanilido)piperidine

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

1-[2-(3-methylphenyl)ethyl]-4-(N-acetanilido)piperidine
SpectraBase Compound ID JqBkIlGEaO7
InChI InChI=1S/C22H28N2O/c1-18-7-6-8-20(17-18)11-14-23-15-12-22(13-16-23)24(19(2)25)21-9-4-3-5-10-21/h3-10,17,22H,11-16H2,1-2H3
InChIKey RROIUIGBEXMCGR-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C22H28N2O
Exact Mass 336.220164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FeN0cQ5esVZ
Name 1-[2-(3-Methylphenyl)ethyl]-4-(N-acetanilido)piperidine
Comments Computed using HOSE algorithm
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Exact Mass 336.220163529 u
Formula C22H28N2O
InChI InChI=1S/C22H28N2O/c1-18-7-6-8-20(17-18)11-14-23-15-12-22(13-16-23)24(19(2)25)21-9-4-3-5-10-21/h3-10,17,22H,11-16H2,1-2H3
InChIKey RROIUIGBEXMCGR-UHFFFAOYSA-N
Molecular Weight 336.479 g/mol
SMILES C1=C(N(C2CCN(CC2)CCC2=CC=CC(=C2)C)C(C)=O)C=CC=C1